1-(benzenesulfonyl)-N-(3,5-dichlorophenyl)pyrrole-2-carboxamide

C17H12Cl2N2O3S — CID 70983634

IUPAC1-(benzenesulfonyl)-N-(3,5-dichlorophenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cccn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H12Cl2N2O3S/c18-12-9-13(19)11-14(10-12)20-17(22)16-7-4-8-21(16)25(23,24)15-5-2-1-3-6-15/h1-11H,(H,20,22)
InChIKeyALDGIULSYWBPJT-UHFFFAOYSA-N
MW395.27 g/mol
LogP4.28
Rot. Bonds4

About 1-(benzenesulfonyl)-N-(3,5-dichlorophenyl)pyrrole-2-carboxamide

1-(benzenesulfonyl)-N-(3,5-dichlorophenyl)pyrrole-2-carboxamide (PubChem CID 70983634) has the molecular formula C17H12Cl2N2O3S and a molecular weight of 395.27 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(3,5-dichlorophenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(3,5-dichlorophenyl)pyrrole-2-carboxamide
PubChem CID70983634
Molecular FormulaC17H12Cl2N2O3S
Molecular Weight395.27 g/mol
Exact Mass393.99
IUPAC Name1-(benzenesulfonyl)-N-(3,5-dichlorophenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cccn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H12Cl2N2O3S/c18-12-9-13(19)11-14(10-12)20-17(22)16-7-4-8-21(16)25(23,24)15-5-2-1-3-6-15/h1-11H,(H,20,22)
InChIKeyALDGIULSYWBPJT-UHFFFAOYSA-N
XLogP4.28
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)pyrrole-2-carboxylic acid
CID 83653929
methyl 1-(4-chlorophenyl)sulfonylpyrrole-2-carboxylate
CID 2741384
[1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone
CID 22928710
1-[2-(3,5-dichloroanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325609
N-(3,5-dichlorophenyl)-2-methylsulfonylbenzamide
CID 7565546
2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325438
sodium;1-(benzenesulfonyl)-3-(3,5-dichlorophenyl)thiourea;hydride
CID 173361364
N-(3,5-dichlorophenyl)-2,6-dihydroxybenzamide
CID 107688954
3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid
CID 43452757
2-anilino-N-(3,5-dichlorophenyl)benzamide
CID 54784944
N-(3,5-dichlorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55631483
N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 17432441

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(3,5-dichlorophenyl)pyrrole-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(3,5-dichlorophenyl)pyrrole-2-carboxamide (CID 70983634) is 1-(benzenesulfonyl)-N-(3,5-dichlorophenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(3,5-dichlorophenyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(3,5-dichlorophenyl)pyrrole-2-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1cccn1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(3,5-dichlorophenyl)pyrrole-2-carboxamide?
The InChIKey is ALDGIULSYWBPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3S/c18-12-9-13(19)11-14(10-12)20-17(22)16-7-4-8-21(16)25(23,24)15-5-2-1-3-6-15/h1-11H,(H,20,22).
What are the key properties of 1-(benzenesulfonyl)-N-(3,5-dichlorophenyl)pyrrole-2-carboxamide?
1-(benzenesulfonyl)-N-(3,5-dichlorophenyl)pyrrole-2-carboxamide has a molecular weight of 395.27 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(3,5-dichlorophenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 70983634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).